2-(2-phosphanylbutan-2-yl)benzenethiol

C10H15PS — CID 130305375

IUPAC2-(2-phosphanylbutan-2-yl)benzenethiol
SMILESCCC(C)(P)c1ccccc1S
InChIInChI=1S/C10H15PS/c1-3-10(2,11)8-6-4-5-7-9(8)12/h4-7,12H,3,11H2,1-2H3
InChIKeyVJVRKLZQDGIARW-UHFFFAOYSA-N
MW198.27 g/mol
LogP3.48
Rot. Bonds2

About 2-(2-phosphanylbutan-2-yl)benzenethiol

2-(2-phosphanylbutan-2-yl)benzenethiol (PubChem CID 130305375) has the molecular formula C10H15PS and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-(2-phosphanylbutan-2-yl)benzenethiol.

Molecular Properties

Compound Name2-(2-phosphanylbutan-2-yl)benzenethiol
PubChem CID130305375
Molecular FormulaC10H15PS
Molecular Weight198.27 g/mol
Exact Mass198.06
IUPAC Name2-(2-phosphanylbutan-2-yl)benzenethiol
SMILESCCC(C)(P)c1ccccc1S
InChIInChI=1S/C10H15PS/c1-3-10(2,11)8-6-4-5-7-9(8)12/h4-7,12H,3,11H2,1-2H3
InChIKeyVJVRKLZQDGIARW-UHFFFAOYSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phosphanylbutan-2-yl)benzenethiol?
The IUPAC name of 2-(2-phosphanylbutan-2-yl)benzenethiol (CID 130305375) is 2-(2-phosphanylbutan-2-yl)benzenethiol.
What is the SMILES notation for 2-(2-phosphanylbutan-2-yl)benzenethiol?
The canonical SMILES for 2-(2-phosphanylbutan-2-yl)benzenethiol is CCC(C)(P)c1ccccc1S.
What is the InChIKey of 2-(2-phosphanylbutan-2-yl)benzenethiol?
The InChIKey is VJVRKLZQDGIARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15PS/c1-3-10(2,11)8-6-4-5-7-9(8)12/h4-7,12H,3,11H2,1-2H3.
What are the key properties of 2-(2-phosphanylbutan-2-yl)benzenethiol?
2-(2-phosphanylbutan-2-yl)benzenethiol has a molecular weight of 198.27 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phosphanylbutan-2-yl)benzenethiol is sourced from PubChem (CID 130305375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).